CAS 499206-33-6

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Also known as: 499206-33-6, 912259-10-0, 1,5,6,7-tetrahydro-4h-indazol-4-one, 1,5,6,7-tetrahydroindazol-4-one, 1,5,6,7-tetrahydro-indazol-4-one, 2,5,6,7-tetrahydro-4h-indazol-4-one

Molecular Formula

C₇H₈N₂O

Molecular Weight

136.15 g/mol

InChI Key

FUVZDXDCPRQZSQ-UHFFFAOYSA-N

1 2D Structure

CAS 499206-33-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,5,6,7-tetrahydroindazol-4-one

2.1.2 InChI

InChI=1S/C7H8N2O/c10-7-3-1-2-6-5(7)4-8-9-6/h4H,1-3H2,(H,8,9)

2.1.3 InChI Key

FUVZDXDCPRQZSQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC2=C(C=NN2)C(=O)C1

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 499206-33-6

2. 912259-10-0

3. 1,5,6,7-tetrahydro-4h-indazol-4-one

4. 1,5,6,7-tetrahydroindazol-4-one

5. 1,5,6,7-tetrahydro-indazol-4-one

6. 2,5,6,7-tetrahydro-4h-indazol-4-one

7. 6,7-dihydro-2h-indazol-4(5h)-one

8. 4,5,6,7-tetrahydro-1h-indazol-4-one

9. Mfcd09054891

10. Chembl594727

11. Schembl1395016

12. Zua20633

13. 4-oxo-4,5,6,7-tetrahydroindazole

14. Stk695812

15. Zinc20216475

16. 2,5,6,7-tetrahydro-indazol-4-one

17. Akos000320441

18. Sb39838

19. 1,5,6,7-tetrahydro-4h-indazole-4-one

20. 4,5,6,7-tetrahydro-2h-indazole-4-one

21. As-31987

22. Da-05461

23. 4h-indazol-4-one, 1,5,6,7-tetrahydro-

24. Am20120691

25. Bb 0257687

26. Cs-0006417

27. Ft-0687729

28. Ft-0714130

29. D72453

30. 1,5,6,7-tetrahydro-4h-indazol-4-one Aldrichcpr

31. A871702

32. 1,5,6,7-tetrahydro-4h-indazol-4-one, Aldrichcpr

33. L-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid

34. Z2065788310

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₇H₈N₂O
Molecular Weight	136.15 g/mol
XLogP3	0.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	136.063662883 g/mol
Monoisotopic Mass	136.063662883 g/mol
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	158
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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